naphthalene

C10H8 — CID 931

IUPACnaphthalene
SMILESc1ccc2ccccc2c1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKeyUFWIBTONFRDIAS-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.84
Rot. Bonds

About naphthalene

naphthalene (PubChem CID 931) has the molecular formula C10H8 and a molecular weight of 128.17 g/mol. Its IUPAC name is naphthalene.

Molecular Properties

Compound Namenaphthalene
PubChem CID931
Molecular FormulaC10H8
Molecular Weight128.17 g/mol
Exact Mass128.06
IUPAC Namenaphthalene
SMILESc1ccc2ccccc2c1
InChIInChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKeyUFWIBTONFRDIAS-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
O-Xylene
CID 7237
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
Indene
CID 7219
BENZ(a)ANTHRACENE
CID 5954
Acenaphthylene
CID 9161
Chrysene
CID 9171
2-Methylnaphthalene
CID 7055

Frequently Asked Questions

What is the IUPAC name of naphthalene?
The IUPAC name of naphthalene (CID 931) is naphthalene.
What is the SMILES notation for naphthalene?
The canonical SMILES for naphthalene is c1ccc2ccccc2c1.
What is the InChIKey of naphthalene?
The InChIKey is UFWIBTONFRDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H.
What are the key properties of naphthalene?
naphthalene has a molecular weight of 128.17 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene is sourced from PubChem (CID 931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).